⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19100015 | 0.60 | — | — | |
| SCHEMBL6376233 | 0.60 | — | — | |
| SCHEMBL17451024 | 0.56 | — | — | |
| SCHEMBL4232819 | 0.53 | — | — | |
| SCHEMBL7009257 | 0.52 | — | — | |
| SCHEMBL3414808 | 0.46 | GABRA1 (0.40) | — | |
| SCHEMBL4175469 | 0.45 | KDM4E (0.33) | — | |
| SCHEMBL12766214 | 0.45 | KDM4E (0.33) | — | |
| P-Xylene SCHEMBL4257237 | 0.43 | ACHE (0.61) | — | |
| Ethylene Glycol SCHEMBL3080883 | 0.43 | ALDH1A1 (0.53) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796698-B2 | Isoindoline compounds and methods of their use | CELGENE CORPORATION (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170088538-A1 | ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE | CELGENE CORPORATION | 2017-03-30 | — | — | US | disclosed |